HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 647255Erstellt: 26. Oktober 2026
2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
TIMTEC-BB SBB010622 · 2-Methyl-2,3-dihydro-benzofuran-5-carboxylic acid · 5-Benzofurancarboxylic acid, 2,3-dihydro-2-methyl- · 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
https://huagongshe.com/de/chemical/647255
Identifikatoren & physikalische Daten
| CAS No. | 103204-80-4 |
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| Summenformel | C10H10O3 |
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| Durchschnittliche Molmasse | 178,18 g/mol |
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| Monoisotopische Masse | 178,06299418 g/mol |
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| SMILES | CC1Cc2cc(C(=O)O)ccc2O1 |
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| InChIKey | NXNQXQFRCVUXIN-UHFFFAOYSA-N |
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| PubChem CID | 647255 |
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| ChEMBL | CHEMBL1478537 |
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| EC No. | 837-599-0 |
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| DTXSID | DTXSID50349436 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 214 |
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| Schmelzpunkt | 149-150 °C |
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| Siedepunkt | 333.1±31.0 °C(Predicted) |
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| Dichte | 1.254±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 4.55±0.40(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Zollcode | 2932990090 |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xi,Xn |
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| Gefahrenklasse | IRRITANT |
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